AA77386
155377-19-8 | Ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA77386
ChemicalName
Ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CasNumber
155377-19-8
MolecularFormula
C7H7F3N2O2
MolecularWeight
208.1379
MdlNumber
MFCD00052083
Smiles
CCOC(=O)c1c[nH]nc1C(F)(F)F
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AA77386
ChemicalName: Ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CasNumber: 155377-19-8
MolecularFormula: C7H7F3N2O2
MolecularWeight: 208.1379
MdlNumber: MFCD00052083
Smiles: CCOC(=O)c1c[nH]nc1C(F)(F)F
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AA77386
ChemicalName:
Ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CasNumber:
155377-19-8
MolecularFormula:
C7H7F3N2O2
MolecularWeight:
208.1379
MdlNumber:
MFCD00052083
Smiles:
CCOC(=O)c1c[nH]nc1C(F)(F)F
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: AA77387
ChemicalName: Methyl 6-(trifluoromethyl)picolinate
CasNumber: 155377-05-2
MolecularFormula: C8H6F3NO2
MolecularWeight: 205.1339
MdlNumber: MFCD02090527
Smiles: COC(=O)c1cccc(n1)C(F)(F)F
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AA77387
ChemicalName:
Methyl 6-(trifluoromethyl)picolinate
CasNumber:
155377-05-2
MolecularFormula:
C8H6F3NO2
MolecularWeight:
205.1339
MdlNumber:
MFCD02090527
Smiles:
COC(=O)c1cccc(n1)C(F)(F)F
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccccc1C#Cc1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccccc1C#Cc1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](N1C(=O)c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](N1C(=O)c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__